4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide

Formula:C20H21N6O5BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide is not a drug-like molecule.

MolName	4-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-oxo-N-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-5-yl)butanamide
MolecularFormula	C20H21N6O5BrS
Smiles	O=C(CCC(N(CC1)CCN1S(c(cc1)ccc1Br)(=O)=O)=O)Nc(cc1)nc(N2)c1NC2=O
InChI	InChI=1S/C20H21BrN6O5S/c21-13-1-3-14(4-2-13)33(31,32)27-11-9-26(10-12-27)18(29)8-7-17(28)23-16-6-5-15-19(24-16)25-20(30)22-15/h1-6H,7-12H2,(H3,22,23,24,25,28,30)
InChIK	ZQDNIXBTSUKXOZ-UHFFFAOYSA-N
TotalMolweight	537.394
Molweight	537.394
MonoisotopicMass	536.04775
CLogP	1.4822
CLogS	-4.151
H Acceptors	11
H Donors	3
TotalSurfaceArea	342.78
Relative PSA	0.35052
PolarSurfaceArea	149.19
Druglikeness	3.9981
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	5
Amides	5
Aromatic Nitrogens	1
StereoCon

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